5-ethanoyl-6-methyl-4-(2-methylpropyl)-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-4-(2-methylpropyl)-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-isobutyl-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-(2-methylpropyl)-2-(phenacylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-(2-methylpropyl)-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-isobutyl-6-methyl-2-(phenacylthio)-1,4-dihydropyridine-3-carbonitrile Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)CC(C)C)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)CC(C)C)C(=O)C

InChI

InChI=1S/C21H24N2O2S/c1-13(2)10-17-18(11-22)21(23-14(3)20(17)15(4)24)26-12-19(25)16-8-6-5-7-9-16/h5-9,13,17,23H,10,12H2,1-4H3